==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-JUN-05 2BUY . COMPND 2 MOLECULE: PROTOCATECHUATE 3,4-DIOXYGENASE ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER CALCOACETICUS; . AUTHOR M.W.VETTING,M.P.VALLEY,D.A.D'ARGENIO,L.N.ORNSTON, . 440 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18905.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 247 56.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 79 18.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 38 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 1 2 0 7 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 2 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 4 A E 0 0 180 0, 0.0 2,-0.2 0, 0.0 288,-0.2 0.000 360.0 360.0 360.0 146.2 -8.4 -25.3 19.1 2 5 A L - 0 0 61 286,-2.4 2,-0.3 285,-0.1 288,-0.0 -0.665 360.0-122.4 -99.7 156.1 -6.5 -23.5 21.9 3 6 A K - 0 0 81 -2,-0.2 424,-0.1 1,-0.1 426,-0.0 -0.716 38.0 -98.1 -94.4 147.0 -2.8 -23.5 22.9 4 7 A E - 0 0 10 -2,-0.3 424,-0.2 1,-0.1 -1,-0.1 -0.337 45.0 -99.4 -57.9 141.3 -1.8 -24.6 26.4 5 8 A T - 0 0 4 422,-2.7 -1,-0.1 1,-0.1 424,-0.1 -0.434 51.4-108.4 -58.0 130.9 -1.1 -21.6 28.8 6 9 A P - 0 0 0 0, 0.0 211,-0.1 0, 0.0 -1,-0.1 -0.355 31.4-115.1 -69.0 141.7 2.7 -21.3 28.7 7 10 A S - 0 0 3 370,-0.1 2,-0.3 211,-0.1 370,-0.2 -0.352 30.2-172.8 -71.7 155.6 4.6 -22.4 31.8 8 11 A Q - 0 0 2 368,-1.5 132,-0.2 209,-0.1 368,-0.1 -0.952 36.2 -83.8-143.1 154.9 6.7 -19.9 33.9 9 12 A T - 0 0 1 -2,-0.3 129,-0.2 1,-0.1 126,-0.1 -0.218 26.3-129.5 -56.0 153.0 9.0 -20.6 36.9 10 13 A G - 0 0 2 127,-0.5 3,-0.2 124,-0.5 125,-0.2 0.737 47.7-145.4 -75.0 -19.2 7.6 -21.0 40.3 11 14 A G > - 0 0 5 123,-0.5 3,-1.2 126,-0.2 124,-0.3 0.020 31.5 -64.0 75.6 170.7 10.2 -18.4 41.5 12 15 A P T 3 S+ 0 0 38 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.649 130.0 52.8 -69.2 -17.7 12.0 -18.4 44.8 13 16 A Y T >> + 0 0 22 -3,-0.2 3,-2.5 1,-0.2 4,-0.6 0.121 61.4 131.7-107.7 25.6 9.0 -17.8 47.0 14 17 A V H <> + 0 0 0 -3,-1.2 4,-2.0 1,-0.3 5,-0.3 0.709 65.2 70.7 -50.5 -15.7 6.9 -20.6 45.7 15 18 A H H 3> S+ 0 0 0 -3,-0.3 4,-1.8 2,-0.2 8,-0.3 0.791 80.3 70.0 -73.5 -28.3 6.2 -21.4 49.4 16 19 A I H <4 S+ 0 0 0 -3,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.972 115.3 24.7 -56.4 -46.8 4.0 -18.5 50.1 17 20 A G H < S+ 0 0 2 -4,-0.6 -1,-0.2 2,-0.2 -2,-0.2 0.796 130.1 37.9 -95.1 -22.5 1.4 -20.0 48.0 18 21 A L H < S+ 0 0 3 -4,-2.0 -3,-0.2 1,-0.2 14,-0.2 0.817 133.5 15.2-100.6 -21.6 2.0 -23.6 48.0 19 22 A L >X + 0 0 17 -4,-1.8 3,-1.9 -5,-0.3 4,-0.8 -0.417 65.6 172.6-140.5 61.7 3.1 -24.2 51.6 20 23 A P G >4>S+ 0 0 7 0, 0.0 5,-2.5 0, 0.0 3,-0.9 0.771 77.1 62.3 -43.5 -36.1 2.1 -21.1 53.6 21 24 A K G >45S+ 0 0 96 1,-0.3 3,-1.6 3,-0.2 5,-0.1 0.891 98.8 54.4 -58.3 -42.0 3.2 -22.8 56.9 22 25 A Q G <45S+ 0 0 56 -3,-1.9 -1,-0.3 1,-0.3 -6,-0.1 0.769 110.9 47.2 -65.6 -19.0 6.8 -23.1 55.7 23 26 A A G <<5S- 0 0 5 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.387 121.7-111.4 -98.5 2.0 6.6 -19.3 55.1 24 27 A N T < 5S+ 0 0 126 -3,-1.6 2,-0.5 -4,-0.2 -3,-0.2 0.893 71.5 139.4 69.0 41.4 5.1 -18.7 58.5 25 28 A I < - 0 0 0 -5,-2.5 2,-1.0 -6,-0.1 3,-0.3 -0.947 35.1-166.5-120.8 114.1 1.7 -17.7 57.1 26 29 A E + 0 0 145 -2,-0.5 3,-0.1 1,-0.2 -5,-0.0 -0.678 42.8 122.6-102.8 85.6 -1.5 -19.0 58.9 27 30 A V + 0 0 21 -2,-1.0 2,-0.4 1,-0.1 -1,-0.2 0.676 59.9 62.4-110.6 -25.7 -4.4 -18.3 56.5 28 31 A F - 0 0 12 -3,-0.3 -1,-0.1 1,-0.2 3,-0.1 -0.856 58.4-155.3-108.6 141.8 -5.9 -21.7 56.0 29 32 A E S S+ 0 0 160 -2,-0.4 2,-0.6 1,-0.2 -1,-0.2 0.954 92.6 42.7 -74.5 -48.8 -7.5 -23.9 58.5 30 33 A H S S- 0 0 75 226,-0.5 2,-0.4 2,-0.0 -1,-0.2 -0.841 80.4-168.7-100.0 120.6 -6.8 -27.1 56.5 31 34 A N - 0 0 45 -2,-0.6 2,-0.2 -3,-0.1 -12,-0.1 -0.868 19.7-124.7-113.5 144.6 -3.3 -27.2 54.9 32 35 A L + 0 0 44 -2,-0.4 2,-0.2 -14,-0.2 63,-0.1 -0.611 43.7 155.3 -83.4 145.9 -1.8 -29.5 52.3 33 36 A D - 0 0 81 -2,-0.2 63,-1.6 61,-0.2 64,-0.1 -0.755 52.3 -78.7-151.5-163.3 1.4 -31.3 53.3 34 37 A N S S+ 0 0 38 61,-0.3 75,-2.2 -2,-0.2 2,-0.7 0.140 88.5 97.6 -96.8 14.3 3.9 -34.2 52.9 35 38 A N B +a 109 0A 73 73,-0.2 75,-0.2 1,-0.1 -2,-0.2 -0.885 35.3 166.5-110.5 105.3 2.0 -36.8 54.9 36 39 A L + 0 0 5 73,-2.8 2,-0.6 -2,-0.7 56,-0.3 0.418 50.9 97.9 -95.0 -0.4 -0.0 -39.2 52.8 37 40 A V - 0 0 27 72,-0.5 2,-0.2 54,-0.1 54,-0.1 -0.822 50.1-175.7 -95.2 119.1 -0.6 -41.7 55.7 38 41 A Q > - 0 0 81 -2,-0.6 3,-1.7 52,-0.5 52,-0.1 -0.642 44.2 -98.1-100.4 166.6 -3.9 -41.4 57.5 39 42 A D T 3 S+ 0 0 145 1,-0.3 -1,-0.0 -2,-0.2 51,-0.0 0.875 123.0 38.0 -57.1 -40.7 -4.6 -43.6 60.6 40 43 A N T 3 S+ 0 0 109 2,-0.0 -1,-0.3 49,-0.0 50,-0.2 0.273 84.7 132.5 -92.4 10.0 -6.6 -46.3 58.6 41 44 A T < - 0 0 6 -3,-1.7 2,-0.2 48,-0.1 50,-0.1 -0.387 53.1-130.4 -63.9 136.6 -4.5 -46.1 55.5 42 45 A Q + 0 0 91 -2,-0.1 30,-0.3 2,-0.1 2,-0.1 -0.544 57.6 41.2 -86.6 155.3 -3.6 -49.6 54.2 43 46 A G S S- 0 0 29 -2,-0.2 2,-0.5 68,-0.1 30,-0.0 -0.340 91.3 -39.1 109.2 173.2 -0.1 -50.8 53.3 44 47 A Q - 0 0 82 68,-0.3 68,-2.2 -2,-0.1 2,-0.2 -0.676 55.1-129.9 -86.3 127.2 3.5 -50.5 54.4 45 48 A R E +B 111 0A 110 -2,-0.5 138,-0.4 66,-0.2 2,-0.3 -0.461 33.9 171.2 -69.4 133.8 4.6 -47.2 55.7 46 49 A I E -B 110 0A 7 64,-2.5 64,-2.4 -2,-0.2 2,-0.4 -0.946 28.1-134.5-141.3 159.9 7.8 -45.9 54.1 47 50 A R E -Bc 109 184A 69 136,-2.2 138,-3.0 -2,-0.3 2,-0.5 -0.969 15.7-158.8-116.8 132.3 9.6 -42.6 54.2 48 51 A L E +Bc 108 185A 0 60,-2.6 60,-2.0 -2,-0.4 2,-0.3 -0.947 25.3 158.2-111.9 125.5 10.9 -41.1 51.0 49 52 A E E +Bc 107 186A 36 136,-2.5 138,-3.1 -2,-0.5 2,-0.3 -0.988 4.4 117.0-147.7 161.6 13.7 -38.6 51.3 50 53 A G E -B 106 0A 0 56,-1.7 56,-2.4 -2,-0.3 2,-0.3 -0.974 45.1 -94.7 171.8-166.3 16.6 -37.0 49.5 51 54 A Q - 0 0 30 -2,-0.3 138,-3.0 54,-0.2 2,-0.5 -0.916 22.4-130.2-134.7 162.3 18.1 -33.7 48.2 52 55 A V E -e 189 0B 0 52,-0.5 8,-2.7 8,-0.4 2,-0.3 -0.980 26.3-158.6-117.0 126.5 17.9 -31.9 44.8 53 56 A F E -eF 190 59B 28 136,-2.9 138,-2.4 -2,-0.5 139,-0.4 -0.858 5.7-142.3-110.9 143.4 21.4 -30.8 43.4 54 57 A D > - 0 0 20 4,-2.5 3,-2.0 -2,-0.3 177,-0.2 -0.191 47.3 -79.0 -87.7-176.4 22.2 -28.1 40.8 55 58 A G T 3 S+ 0 0 24 175,-2.3 139,-0.1 1,-0.3 176,-0.1 0.517 130.6 52.4 -67.9 -7.8 24.9 -28.4 38.2 56 59 A L T 3 S- 0 0 119 2,-0.2 -1,-0.3 174,-0.1 137,-0.1 0.280 121.1-105.0-104.9 5.2 27.7 -27.5 40.6 57 60 A G S < S+ 0 0 45 -3,-2.0 -2,-0.1 1,-0.3 136,-0.0 0.628 76.6 135.7 84.8 13.1 26.5 -30.2 43.0 58 61 A L - 0 0 96 1,-0.0 -4,-2.5 0, 0.0 -1,-0.3 -0.779 57.4-112.2 -95.5 141.1 24.9 -27.8 45.5 59 62 A P B -F 53 0B 41 0, 0.0 2,-0.5 0, 0.0 -6,-0.3 -0.391 24.8-121.5 -71.8 145.5 21.5 -28.6 47.0 60 63 A L - 0 0 0 -8,-2.7 -8,-0.4 44,-0.2 3,-0.3 -0.750 24.6-174.7 -84.7 125.9 18.5 -26.4 46.1 61 64 A R S S+ 0 0 143 -2,-0.5 43,-0.1 1,-0.1 -1,-0.1 0.361 80.8 53.5-102.7 5.4 17.1 -25.0 49.3 62 65 A D S S+ 0 0 22 73,-0.1 73,-0.3 36,-0.1 -48,-0.2 0.131 79.7 126.6-121.3 18.2 14.2 -23.3 47.6 63 66 A V - 0 0 0 -3,-0.3 36,-1.7 71,-0.1 2,-0.4 -0.484 44.0-154.3 -83.6 145.5 12.8 -26.3 45.7 64 67 A L E -GH 98 133C 0 69,-2.7 69,-2.4 34,-0.2 2,-0.4 -0.980 14.2-170.9-117.0 131.7 9.1 -27.5 45.9 65 68 A I E -GH 97 132C 0 32,-2.9 32,-2.7 -2,-0.4 2,-0.3 -0.941 7.7-175.9-124.2 143.1 8.3 -31.2 45.2 66 69 A E E -GH 96 131C 0 65,-2.1 65,-2.1 -2,-0.4 2,-0.3 -0.962 7.9-159.3-131.5 152.5 5.0 -33.0 44.8 67 70 A I E -GH 95 130C 0 28,-1.9 28,-1.4 -2,-0.3 2,-0.3 -0.945 4.8-165.9-129.4 157.7 4.4 -36.7 44.4 68 71 A W E +GH 94 129C 0 61,-2.2 61,-2.8 -2,-0.3 2,-0.3 -0.992 23.8 152.3-142.7 128.5 1.4 -38.7 42.9 69 72 A Q - 0 0 0 24,-1.7 59,-0.1 -2,-0.3 2,-0.1 -0.979 39.3-101.7-155.9 167.9 1.0 -42.4 43.4 70 73 A A - 0 0 0 57,-0.4 6,-0.2 -2,-0.3 23,-0.1 -0.385 41.9-102.1 -90.0 169.0 -1.4 -45.4 43.7 71 74 A D > - 0 0 1 4,-2.7 43,-2.7 42,-0.1 3,-2.0 -0.032 53.2 -74.0 -78.0-169.3 -2.6 -47.1 46.9 72 75 A T T 3 S+ 0 0 39 -30,-0.3 43,-0.2 1,-0.3 -29,-0.1 0.785 132.5 48.4 -63.0 -27.0 -1.3 -50.4 48.2 73 76 A N T 3 S- 0 0 90 41,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.263 121.7-100.5 -98.0 14.3 -3.3 -52.4 45.6 74 77 A G S < S+ 0 0 0 -3,-2.0 2,-0.4 1,-0.2 -2,-0.1 0.814 80.3 131.3 75.2 30.4 -2.1 -50.3 42.6 75 78 A V - 0 0 3 41,-0.1 -4,-2.7 11,-0.1 -1,-0.2 -0.960 51.8-132.9-119.4 132.8 -5.3 -48.2 42.3 76 79 A Y - 0 0 3 -2,-0.4 2,-2.1 -6,-0.2 5,-0.2 -0.631 16.3-127.4 -83.0 138.7 -5.3 -44.4 42.0 77 80 A P S S+ 0 0 19 0, 0.0 174,-0.4 0, 0.0 2,-0.3 -0.511 77.0 109.8 -84.5 68.4 -7.7 -42.4 44.1 78 81 A S S > S- 0 0 15 -2,-2.1 3,-2.2 172,-0.1 -2,-0.1 -0.993 76.7-130.7-145.0 138.5 -8.9 -40.7 41.0 79 82 A Q T 3 S+ 0 0 167 -2,-0.3 169,-0.1 1,-0.3 -1,-0.0 0.664 108.5 66.3 -60.0 -18.9 -12.2 -40.8 39.0 80 83 A A T 3 S+ 0 0 19 169,-0.3 2,-0.5 289,-0.2 -1,-0.3 0.512 72.6 104.0 -83.0 -7.0 -10.0 -41.4 36.0 81 84 A D < - 0 0 23 -3,-2.2 3,-0.3 -5,-0.2 -6,-0.0 -0.674 51.2-172.3 -74.9 127.4 -8.8 -44.7 37.2 82 85 A T + 0 0 92 -2,-0.5 -1,-0.1 1,-0.2 -3,-0.1 0.102 50.5 109.6-108.0 19.0 -10.7 -47.3 35.1 83 86 A Q S S- 0 0 40 2,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.624 75.0-135.2 -73.6 -13.2 -9.6 -50.5 36.8 84 87 A G + 0 0 85 -3,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.617 65.7 121.1 72.7 6.2 -13.1 -51.1 38.4 85 88 A K S S- 0 0 127 1,-0.0 2,-0.3 0, 0.0 -1,-0.3 -0.762 70.7-105.2-102.5 154.2 -11.4 -51.9 41.7 86 88AA Q - 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